SCHEMBL674677

SCHEMBL674677

O=[N+]([O-])c1ccccc1-c1ccc2[nH]c3nccc(-c4ccccc4[N+](=O)[O-])c3c2c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.50
CHEK1 O14757 1/20 0.44
WEE1 P30291 1/20 0.44
PTK6 Q13882 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ERBB2 P04626 2/20 0.42
KMT2A Q03164 1/20 0.42
EGFR P00533 2/20 0.40
IGF1R P08069 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL675938 0.88 ALK (0.48) ALKCHEK1WEE1PTK6ALDH1A1
SCHEMBL19022524 0.80 ALDH1A1 (0.56) CHEK1WEE1ALDH1A1TDP1KMT2A
SCHEMBL674242 0.78 ALDH1A1 (0.41) ALKCHEK1WEE1ALDH1A1TDP1
SCHEMBL19022533 0.77 KMT2A (0.56) CHEK1WEE1ALDH1A1TDP1KMT2A
SCHEMBL674678 0.77 ALK (0.55) ALKPTK6ERBB2KMT2AEGFR
SCHEMBL675109 0.76 PTPN1 (0.45) ALKCHEK1WEE1ALDH1A1TDP1
SCHEMBL676124 0.75 GRIN2D (0.42) ALKCHEK1WEE1ALDH1A1TDP1
SCHEMBL24171431 0.75 KMT2A (0.48) CHEK1WEE1ALDH1A1TDP1KMT2A
SCHEMBL24597963 0.74 KMT2A (0.56) CHEK1WEE1ALDH1A1TDP1KMT2A
SCHEMBL24597989 0.74 KMT2A (0.56) CHEK1WEE1ALDH1A1TDP1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 ALK 1/4885CHEK1 1744/4885WEE1 1648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.